6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K786-3367 |
| Compound Name: | 6-tert-butyl-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C25 H30 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C(COc2ccc(cc12)C(C)(C)C)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6087 |
| logD: | 4.6086 |
| logSw: | -4.7014 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.42 |
| InChI Key: | DHUFGDTUUILTQM-UHFFFAOYSA-N |